General Information of the Compound
| Compound ID |
CP0486688
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| Compound Name |
6-Chloro-4-[1-(2,2-difluoro-benzo[1,3]dioxol-5-ylmethyl)-piperidin-4-ylamino]-chromen-2-one
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| Structure |
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| Formula |
C22H19ClF2N2O4
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| Molecular Weight |
448.853
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| Canonical SMILES |
FC1(F)Oc2ccc(CN3CCC(CC3)Nc3cc(=O)oc4ccc(Cl)cc34)cc2O1
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| InChI |
InChI=1S/C22H19ClF2N2O4/c23-14-2-4-18-16(10-14)17(11-21(28)29-18)26-15-5-7-27(8-6-15)12-13-1-3-19-20(9-13)31-22(24,25)30-19/h1-4,9-11,15,26H,5-8,12H2
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| InChIKey |
KSHGPOSCFJFCQM-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound